(3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C17H20N6O — CID 120928515

IUPAC(3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)c2[nH]ncc12
InChIInChI=1S/C17H20N6O/c1-10-3-4-15(16-12(10)8-19-22-16)21-17(24)14-7-18-6-13(14)11-5-20-23(2)9-11/h3-5,8-9,13-14,18H,6-7H2,1-2H3,(H,19,22)(H,21,24)/t13-,14+/m1/s1
InChIKeyYWUWCMGZNMOAES-KGLIPLIRSA-N
MW324.39 g/mol
LogP1.55
Rot. Bonds3

About (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120928515) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120928515
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)c2[nH]ncc12
InChIInChI=1S/C17H20N6O/c1-10-3-4-15(16-12(10)8-19-22-16)21-17(24)14-7-18-6-13(14)11-5-20-23(2)9-11/h3-5,8-9,13-14,18H,6-7H2,1-2H3,(H,19,22)(H,21,24)/t13-,14+/m1/s1
InChIKeyYWUWCMGZNMOAES-KGLIPLIRSA-N
XLogP1.55
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-N-(1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120921147
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120921725
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-methyl-5-pyridin-4-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940718
(3R,4S)-N-(2-fluoro-4-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917667
methyl 2-methyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]benzoate
CID 120920427
(3R,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120922524
(3R,4S)-N-(4-ethoxy-2-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120926499
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 120917621
(3R,4S)-N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120928252
(3R,4S)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120941891
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484
(3R,4S)-N-(2-methoxy-5-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917529

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120928515) is (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)c2[nH]ncc12.
What is the InChIKey of (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is YWUWCMGZNMOAES-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10-3-4-15(16-12(10)8-19-22-16)21-17(24)14-7-18-6-13(14)11-5-20-23(2)9-11/h3-5,8-9,13-14,18H,6-7H2,1-2H3,(H,19,22)(H,21,24)/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120928515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).